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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013653

7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Formula: C28H30O16  |  Mol. Weight: 622.50 g/mol

IUPAC: 7-hydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

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Overview

Molecular Formula C28H30O16
Molecular Weight 622.50 g/mol
Canonical SMILES COC1=CC(=CC2=C1OCO2)C3=COC4=CC(=C(C=C4C3=O)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy